HRID672585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID606665

5-Bromo-2-chloropyrimidine

C4H2BrClN2

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ncnc1OCC#CCO

HCID10185233

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ncnc1OCC#CCOc1ncc(Br)cn1

HCID10168496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c44cb9c8dfb4b4fb7cb7745a7386fec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:38][c:39]1[cH:40][n:41][c:42]([Cl:45])[n:43][cH:44]1.[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]2[n:18][cH:19][n:20][c:21]([O:32][CH2:33][C:34]#[C:35][CH2:36][OH:37])[c:22]2[O:23][c:24]2[c:25]([O:30][CH3:31])[cH:26][cH:27][cH:28][cH:29]2)[cH:11][cH:12]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[H-:1].[Na+:2]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]2[n:18][cH:19][n:20][c:21]([O:32][CH2:33][C:34]#[C:35][CH2:36][O:37][c:42]3[n:41][cH:40][c:39]([Br:38])[cH:44][n:43]3)[c:22]2[O:23][c:24]2[c:25]([O:30][CH3:31])[cH:26][cH:27][cH:28][cH:29]2)[cH:11][cH:12]1